ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009958
RECORD_TITLE: N-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-6-HEXANELACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: N-(3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL)-6-HEXANELACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₃NO
CH$EXACT_MASS: 303.25621
CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=CCN(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C20H33NO/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-21-15-6-5-13-20(21)22/h9,11,14H,5-8,10,12-13,15-16H2,1-4H3/b18-11+,19-14+
CH$LINK: INCHIKEY NIYHCJHBUMZSLH-MMOYSQFZSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-02u0-7910000000-65c46b8e80ac4ff5e55d
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  27 3.4 34
  29 7.7 77
  30 3.8 38
  39 0.38 4
  41 41.8 418
  42 5.9 59
  43 8.9 89
  44 0.17 2
  53 6.1 61
  54 29.1 291
  56 7 70
  57 0.27 3
  67 15.2 152
  68 10.2 102
  69 45.1 451
  70 0.86 9
  77 2.8 28
  79 6.3 63
  80 5.8 58
  81 1.3 13
  82 15 150
  83 5 50
  84 23.5 235
  85 0.3 3
  91 4.1 41
  92 1.9 19
  93 24.4 244
  94 0.41 4
  95 5.6 56
  96 2.7 27
  98 8 80
  99 0.19 2
  100 40.1 401
  105 4.1 41
  107 8.6 86
  108 0.2 2
  109 3.9 39
  110 2 20
  112 95.8 958
  113 1.27 13
  119 5.2 52
  121 6.9 69
  122 4.2 42
  123 0.31 3
  124 17.1 171
  133 2.8 28
  134 1.6 16
  135 2.66 27
  136 6.1 61
  138 6.1 61
  148 3.4 34
  150 0.39 4
  152 7 70
  153 2.5 25
  161 4.5 45
  165 0.25 3
  166 99.99 999
  167 14.9 149
  168 1.6 16
  178 0.3 3
  204 5 50
  207 0.3 3
  234 62.8 628
  235 1.02 10
  303 3.4 34
//